SCHEMBL9588307

SCHEMBL9588307

Oc1ccccc1Oc1ccccc1Oc1ccccc1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.53
TSHR P16473 2/20 0.48
LTA4H P09960 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
TP53 P04637 1/20 0.48
NR1H2 P55055 1/20 0.48
BAX Q07812 1/20 0.48
HRH1 P35367 1/20 0.47
CTNNB1 P35222 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 1/20 0.45
JAK2 O60674 1/20 0.45
MAPT P10636 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29449754 0.95 TTR (0.57) TTRTSHRLTA4HCA1CA2
SCHEMBL260447 0.95 TTR (0.57) TTRTSHRLTA4HCA1CA2
Ethylene SCHEMBL27892819 0.91 TTR (0.53) TTRTSHRLTA4HCA1CA2
SCHEMBL5528855 0.91 LTA4H (0.60) TTRTSHRLTA4HCA1CA2
Formaldehyde SCHEMBL9420440 0.89 TTR (0.55) TTRTSHRLTA4HCA1CA2
Bicarbonate SCHEMBL6919886 0.89 TTR (0.59) TTRTSHRLTA4HCA1CA2
Biphenyl SCHEMBL28813894 0.89 TTR (0.52) TTRTSHRLTA4HCA1CA2
SCHEMBL29024081 0.88 CA2 (0.54) TTRTSHRLTA4HCA1CA2
SCHEMBL7806601 0.88 CA2 (0.59) TSHRCA1CA2TP53ALDH1A1
SCHEMBL9344917 0.86 TSHR (0.52) TTRTSHRLTA4HCA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5219477-A Containing organometallic salts and inorganic metal borates; fromo reactinmetal hydroxide with phenols or aromatic carboxylic acid THE DOW CHEMICAL COMPANY (US) 1993-06-15 US claimed
US-5219477-A Containing organometallic salts and inorganic metal borates; fromo reactinmetal hydroxide with phenols or aromatic carboxylic acid THE DOW CHEMICAL COMPANY (US) 1993-06-15 US disclosed